Geometry & MOs

Info

ID:	55937
PubChem CID:	17397593
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	-53.27
Dipole, Da:	2.61
IP(EA), eV:	-8.68(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2CCOC3=CC=CC=C23

DOS

IR

Vibrations